BDBM50078058 CHEMBL3417509

SMILES: CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1

InChI Key: InChIKey=JHJVGMYHMZFOHQ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50078058   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078058 (CHEMBL3417509) Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078058 (CHEMBL3417509) Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50078058 (CHEMBL3417509) Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50078058 (CHEMBL3417509) Show SMILES CN(C)CCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C23H26N8O/c1-30(2)10-11-31-15-18(14-27-31)20-28-21(29-32-20)23(8-3-9-23)19-6-4-16(5-7-19)17-12-25-22(24)26-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using dichlofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 6 mi...				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair